1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine

C13H21N — CID 11600830

IUPAC1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine
SMILESC=CCC1CCCC=C1N1CCCC1
InChIInChI=1S/C13H21N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-14/h2,9,12H,1,3-8,10-11H2
InChIKeyZMVGMWVMAINXFZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds3

About 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine

1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine (PubChem CID 11600830) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine
PubChem CID11600830
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine
SMILESC=CCC1CCCC=C1N1CCCC1
InChIInChI=1S/C13H21N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-14/h2,9,12H,1,3-8,10-11H2
InChIKeyZMVGMWVMAINXFZ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Pyrrolidino-1-cyclohexene
CID 70768
Pyrrolidine, 1-(3-cyclohexene-1-ylmethyl)-, hydrochloride
CID 200464
1-[4-(Tert-butyl)-1-cyclohexen-1-YL]pyrrolidine
CID 107232
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-(4,4-Dimethyl-cyclohex-1-enyl)-pyrrolidine
CID 13494917
1-(Bicyclo[2.2.1]hept-2-en-2-yl)pyrrolidine
CID 14297057
5-Methyl-1-pyrrolidino-1-cyclopentene
CID 15662771
Vinyltetrahydroindole
CID 66971852
hexahydro-N-methylindole
CID 129642426
1-Ethyltetrahydroindole
CID 129798269
1-[6-(Trifluoromethyl)cyclohexen-1-yl]pyrrolidine
CID 85914770
5-Cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
CID 175611923

Frequently Asked Questions

What is the IUPAC name of 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine (CID 11600830) is 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine is C=CCC1CCCC=C1N1CCCC1.
What is the InChIKey of 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine?
The InChIKey is ZMVGMWVMAINXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-7-12-8-3-4-9-13(12)14-10-5-6-11-14/h2,9,12H,1,3-8,10-11H2.
What are the key properties of 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine?
1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-prop-2-enylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 11600830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).